1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane

C30H52O4 — CID 140552812

IUPAC1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
SMILESC1CCC(OC2CCC(OC3CCC(OC4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H52O4/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h23-30H,1-22H2
InChIKeyPSVWAOOUILQDRW-UHFFFAOYSA-N
MW476.74 g/mol
LogP7.65
Rot. Bonds8

About 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane

1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane (PubChem CID 140552812) has the molecular formula C30H52O4 and a molecular weight of 476.74 g/mol. Its IUPAC name is 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane.

Molecular Properties

Compound Name1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
PubChem CID140552812
Molecular FormulaC30H52O4
Molecular Weight476.74 g/mol
Exact Mass476.39
IUPAC Name1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
SMILESC1CCC(OC2CCC(OC3CCC(OC4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C30H52O4/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h23-30H,1-22H2
InChIKeyPSVWAOOUILQDRW-UHFFFAOYSA-N
XLogP7.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane?
The IUPAC name of 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane (CID 140552812) is 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane.
What is the SMILES notation for 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane?
The canonical SMILES for 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane is C1CCC(OC2CCC(OC3CCC(OC4CCC(OC5CCCCC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane?
The InChIKey is PSVWAOOUILQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O4/c1-3-7-23(8-4-1)31-25-11-15-27(16-12-25)33-29-19-21-30(22-20-29)34-28-17-13-26(14-18-28)32-24-9-5-2-6-10-24/h23-30H,1-22H2.
What are the key properties of 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane?
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane has a molecular weight of 476.74 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane is sourced from PubChem (CID 140552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).